16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=622.5220137790699 stress="-0.04469706700445621 -0.006143642721369428 -0.018734712000432287 -0.006143642721369428 -0.043190778672685635 0.0025338280243457118 -0.018734712000432287 0.0025338280243457118 -0.04465965872617605" pbc="F F F" At 21.10958125 21.02796508 21.42103442 -847.30282598 -936.89220907 -867.17142525 At 22.26410200 22.25873776 22.38538587 1098.12669635 1130.32416862 511.27882103 At 23.84719069 21.23937719 20.97072094 51.99577341 -56.99720020 -72.39949940 At 25.50297155 22.66562819 22.28100982 38.39457509 -8.45361221 16.67008539 At 20.91221886 23.95331346 20.91216660 -13.19932105 6.56639530 -13.52273867 At 22.56109240 25.20032005 22.66886747 -269.13992171 331.74023696 -291.20463247 At 23.93158601 24.23828399 20.95455776 -24.64382993 -58.09597986 -118.95366911 At 25.42036074 25.35792217 22.42996267 90.49927448 78.48668819 20.68494820 At 20.85326397 21.33262115 23.67166558 -323.50192346 -195.11542346 393.72066086 At 22.24236599 22.73446333 25.26566576 618.74970112 -770.69110560 741.61354671 At 24.18658878 21.24988612 24.24410202 -107.35137167 -110.65596520 -82.70362466 At 25.69724310 22.55275451 25.32179612 115.51338231 95.69817546 82.77175856 At 21.22762461 23.98047546 24.12876381 -734.14706669 705.35191337 -640.70767861 At 22.75646489 25.35998776 25.56694762 -25.79890017 79.77678922 91.17592577 At 23.90389038 24.14223686 23.90692346 320.66427630 -298.09718250 222.13191083 At 25.58170241 25.48217219 25.47256041 11.14148160 7.05431099 6.61561081